2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol

C20H23N3O2 — CID 70761088

IUPAC2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c24-12-10-23(11-13-25)15-19-14-21-22-20(19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,14,24-25H,10-13,15H2,(H,21,22)
InChIKeyHIHYQDKKEYZCDP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.53
Rot. Bonds8

About 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (PubChem CID 70761088) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
PubChem CID70761088
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c24-12-10-23(11-13-25)15-19-14-21-22-20(19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,14,24-25H,10-13,15H2,(H,21,22)
InChIKeyHIHYQDKKEYZCDP-UHFFFAOYSA-N
XLogP2.53
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
3-(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)propan-1-ol
CID 16187516
2-{Benzyl-[5-(4-fluoro-phenyl)-1H-pyrazol-4-ylmethyl]-amino}-ethanol
CID 644634
2-{[5-(3,4-Dimethyl-phenyl)-1H-pyrazol-4-ylmethyl]-ethyl-amino}-ethanol
CID 648723
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190754
2-[[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]amino]ethanol
CID 76332189
{3-(2-methylbenzyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16190408
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
{3-benzyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188354
ethyl 4-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 16188466
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190169

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (CID 70761088) is 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is OCCN(CCO)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The InChIKey is HIHYQDKKEYZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-12-10-23(11-13-25)15-19-14-21-22-20(19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,14,24-25H,10-13,15H2,(H,21,22).
What are the key properties of 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol has a molecular weight of 337.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 70761088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).